(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone

C21H24N2O4 — CID 90566437

About (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone

(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone (PubChem CID 90566437) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
• PubChem CID: 90566437
• Molecular Formula: C21H24N2O4
• Molecular Weight: 368.43 g/mol
• Exact Mass: 368.17
• IUPAC Name: (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
• SMILES: Cc1ccc(OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)cn1
• InChI: InChI=1S/C21H24N2O4/c1-14-7-8-17(13-22-14)26-16-9-11-23(12-10-16)21(24)20-15(2)25-18-5-3-4-6-19(18)27-20/h3-8,13,15-16,20H,9-12H2,1-2H3
• InChIKey: VUBDTLJXXLHQTG-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 60.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.43
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone?

The IUPAC name of (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone (CID 90566437) is (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone.

What is the SMILES notation for (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone?

The canonical SMILES for (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone is Cc1ccc(OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)cn1.

What is the InChIKey of (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone?

The InChIKey is VUBDTLJXXLHQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14-7-8-17(13-22-14)26-16-9-11-23(12-10-16)21(24)20-15(2)25-18-5-3-4-6-19(18)27-20/h3-8,13,15-16,20H,9-12H2,1-2H3.

What are the key properties of (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone?

(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone has a molecular weight of 368.43 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 90566437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).